carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten

C46H53Cl2F3N16O10S4W2-2 — CID 161115299

About carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten

carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten (PubChem CID 161115299) has the molecular formula C46H53Cl2F3N16O10S4W2-2 and a molecular weight of 1613.88 g/mol. Its IUPAC name is carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten.

Molecular Properties

• Compound Name: carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten
• PubChem CID: 161115299
• Molecular Formula: C46H53Cl2F3N16O10S4W2-2
• Molecular Weight: 1613.88 g/mol
• Exact Mass: 1612.14
• IUPAC Name: carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten
• SMILES: CS(=O)(=O)Cl.O=S(=O)(Cl)C1CC1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C2CC2)C1.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C21H22N8O3S.C19H17F3N8O3S.C3H5ClO2S.CH3ClO2S.2CH3.2W/c1-22-11-21(12-27(13-21)33(31,32)16-7-8-16)28-10-15(9-23-28)17-3-2-4-18-24-20(26-29(17)18)25-19(30)14-5-6-14;1-23-9-18(10-28(11-18)34(32,33)19(20,21)22)29-8-13(7-24-29)14-3-2-4-15-25-17(27-30(14)15)26-16(31)12-5-6-12;4-7(5,6)3-1-2-3;1-5(2,3)4;;;;/h2-4,9-10,14,16H,5-8,11-13H2,(H,25,26,30);2-4,7-8,12H,5-6,9-11H2,(H,26,27,31);3H,1-2H2;1H3;2*1H3;;/q;;;;2*-1
• InChIKey: QTMYPKGDURFHID-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 305.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1613.88
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten?

The IUPAC name of carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten (CID 161115299) is carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten.

What is the SMILES notation for carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten?

The canonical SMILES for carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten is CS(=O)(=O)Cl.O=S(=O)(Cl)C1CC1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C2CC2)C1.[CH3-].[CH3-].[W].[W].

What is the InChIKey of carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten?

The InChIKey is QTMYPKGDURFHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3S.C19H17F3N8O3S.C3H5ClO2S.CH3ClO2S.2CH3.2W/c1-22-11-21(12-27(13-21)33(31,32)16-7-8-16)28-10-15(9-23-28)17-3-2-4-18-24-20(26-29(17)18)25-19(30)14-5-6-14;1-23-9-18(10-28(11-18)34(32,33)19(20,21)22)29-8-13(7-24-29)14-3-2-4-15-25-17(27-30(14)15)26-16(31)12-5-6-12;4-7(5,6)3-1-2-3;1-5(2,3)4;;;;/h2-4,9-10,14,16H,5-8,11-13H2,(H,25,26,30);2-4,7-8,12H,5-6,9-11H2,(H,26,27,31);3H,1-2H2;1H3;2*1H3;;/q;;;;2*-1;;.

What are the key properties of carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten?

carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten has a molecular weight of 1613.88 g/mol, XLogP of 4.88, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cyclopropanesulfonyl chloride;N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;methanesulfonyl chloride;tungsten is sourced from PubChem (CID 161115299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).